ethyl 3-[[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxidanylidene-propanoyl]amino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxidanylidene-propanoyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[3-(6-nitroindolin-1-yl)-3-oxo-propanoyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[3-(6-nitro-2,3-dihydroindol-1-yl)-1,3-dioxopropyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[3-keto-3-(6-nitroindolin-1-yl)propanoyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CC(=O)N2CCC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CC(=O)N2CCC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-2-31-21(28)11-17(15-4-3-8-22-13-15)23-19(26)12-20(27)24-9-7-14-5-6-16(25(29)30)10-18(14)24/h3-6,8,10,13,17H,2,7,9,11-12H2,1H3,(H,23,26)