ethyl 3-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]carbonyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]carbonyl]-5-nitro-benzoate Openeye Name: ethyl 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(=CC2)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(=CC2)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5/c1-2-31-23(28)17-11-16(12-18(13-17)26(29)30)22(27)25-9-7-15(8-10-25)20-14-24-21-6-4-3-5-19(20)21/h3-7,11-14,24H,2,8-10H2,1H3