N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-prop-2-enyl-benzamide

Systemtic Name: N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-3-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O4/c1-3-14-27(25(31)21-11-7-12-22(16-21)29(32)33)19-24(30)28(17-20-9-5-4-6-10-20)18-23-13-8-15-26(23)2/h3-13,15-16H,1,14,17-19H2,2H3