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

Systemtic Name: N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[cyclopropyl-[(1-methyl-2-pyrrolyl)methyl]amino]-2-oxoethyl]-3-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(C2CC2)C(=O)CN(CC=C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1CN(C2CC2)C(=O)CN(CC=C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-3-11-23(21(27)16-6-4-7-18(13-16)25(28)29)15-20(26)24(17-9-10-17)14-19-8-5-12-22(19)2/h3-8,12-13,17H,1,9-11,14-15H2,2H3