[2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: [2-[(3-nitrobenzoyl)amino]-2-oxo-ethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [2-[[(3-nitrophenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-nitrobenzoyl)amino]-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [2-keto-2-[(3-nitrobenzoyl)amino]ethyl] ester Formula: C21H16N4O7 MolecularWeight: 436.37434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N2C1

InChI

InChI=1S/C21H16N4O7/c26-18(23-19(27)12-3-1-4-14(9-12)25(30)31)11-32-21(29)13-6-7-15-16(10-13)22-17-5-2-8-24(17)20(15)28/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,23,26,27)