ethyl 3-[[3-[methyl-(3-nitrophenyl)amino]-3-oxidanylidene-propanoyl]amino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[3-[methyl-(3-nitrophenyl)amino]-3-oxidanylidene-propanoyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[3-(N-methyl-3-nitro-anilino)-3-oxo-propanoyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[3-(N-methyl-3-nitroanilino)-1,3-dioxopropyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(N-methyl-3-nitroanilino)-3-oxopropanoyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[3-keto-3-(N-methyl-3-nitro-anilino)propanoyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O6/c1-3-30-20(27)11-17(14-6-5-9-21-13-14)22-18(25)12-19(26)23(2)15-7-4-8-16(10-15)24(28)29/h4-10,13,17H,3,11-12H2,1-2H3,(H,22,25)