N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-N-propyl-benzamide

Systemtic Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-N-propyl-benzamide Openeye Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-2-chloro-4-nitro-N-propyl-benzamide CAS Name: N-[2-[butyl-[(1-methyl-2-pyrrolyl)methyl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-propylbenzamide IUPAC Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-propylbenzamide Traditional Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-2-chloro-4-nitro-N-propyl-benzamide Formula: C22H29ClN4O4 MolecularWeight: 448.94306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1C)C(=O)CN(CCC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN(CC1=CC=CN1C)C(=O)CN(CCC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H29ClN4O4/c1-4-6-13-25(15-18-8-7-12-24(18)3)21(28)16-26(11-5-2)22(29)19-10-9-17(27(30)31)14-20(19)23/h7-10,12,14H,4-6,11,13,15-16H2,1-3H3