N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[allyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]amino]-2-oxo-ethyl]-N-cyclopropyl-3-nitro-benzamide CAS Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[allyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]amino]-2-keto-ethyl]-N-cyclopropyl-3-nitro-benzamide Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)C(=O)CN(C3CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)C(=O)CN(C3CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H30N4O4/c1-3-15-30(19-26-12-7-16-29(26)18-23-9-5-4-8-21(23)2)27(33)20-31(24-13-14-24)28(34)22-10-6-11-25(17-22)32(35)36/h3-12,16-17,24H,1,13-15,18-20H2,2H3