3-[5-(4-methylphenyl)-1-[(4-nitrophenyl)carbonylamino]pyrrol-2-yl]propanoate

Systemtic Name: 3-[5-(4-methylphenyl)-1-[(4-nitrophenyl)carbonylamino]pyrrol-2-yl]propanoate Openeye Name: 3-[1-[(4-nitrobenzoyl)amino]-5-(p-tolyl)pyrrol-2-yl]propanoate CAS Name: 3-[5-(4-methylphenyl)-1-[[(4-nitrophenyl)-oxomethyl]amino]-2-pyrrolyl]propanoate IUPAC Name: 3-[5-(4-methylphenyl)-1-[(4-nitrobenzoyl)amino]pyrrol-2-yl]propanoate Traditional Name: 3-[1-[(4-nitrobenzoyl)amino]-5-(p-tolyl)pyrrol-2-yl]propionate Formula: C21H18N3O5- MolecularWeight: 392.38472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-14-2-4-15(5-3-14)19-12-10-17(11-13-20(25)26)23(19)22-21(27)16-6-8-18(9-7-16)24(28)29/h2-10,12H,11,13H2,1H3,(H,22,27)(H,25,26)/p-1