[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-2-12-28-18-8-5-15(6-9-18)21(25)29-14-20(24)22-11-3-4-16-13-17(23(26)27)7-10-19(16)22/h5-10,13H,2-4,11-12,14H2,1H3