N1,N4-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-nitro-benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-nitro-benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]-2-nitro-terephthalamide CAS Name: N1,N4-bis[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]-2-nitrobenzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]-2-nitrobenzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]-2-nitro-terephthalamide Formula: C34H47N11O6 MolecularWeight: 705.80708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C34H47N11O6/c1-20(2)9-13-43-18-23(16-27(43)33(48)39-11-7-29(35)36)41-31(46)22-5-6-25(26(15-22)45(50)51)32(47)42-24-17-28(34(49)40-12-8-30(37)38)44(19-24)14-10-21(3)4/h5-6,15-21H,7-14H2,1-4H3,(H3,35,36)(H3,37,38)(H,39,48)(H,40,49)(H,41,46)(H,42,47)