ethyl (E)-2-[(3-methylphenyl)carbonylamino]-3-(4-nitrocyclopenta-1,3-dien-1-yl)prop-2-enoate

Systemtic Name: ethyl (E)-2-[(3-methylphenyl)carbonylamino]-3-(4-nitrocyclopenta-1,3-dien-1-yl)prop-2-enoate Openeye Name: ethyl (E)-2-[(3-methylbenzoyl)amino]-3-(4-nitrocyclopenta-1,3-dien-1-yl)prop-2-enoate CAS Name: (E)-2-[[(3-methylphenyl)-oxomethyl]amino]-3-(4-nitro-1-cyclopenta-1,3-dienyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[(3-methylbenzoyl)amino]-3-(4-nitrocyclopenta-1,3-dien-1-yl)prop-2-enoate Traditional Name: (E)-2-(m-toluoylamino)-3-(4-nitrocyclopenta-1,3-dien-1-yl)acrylic acid ethyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=C(C1)[N+](=O)[O-])/NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C18H18N2O5/c1-3-25-18(22)16(11-13-7-8-15(10-13)20(23)24)19-17(21)14-6-4-5-12(2)9-14/h4-9,11H,3,10H2,1-2H3,(H,19,21)/b16-11+