(4-aminocarbonyl-2-nitro-phenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 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 (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 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 (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-])C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-])C(=O)N2C1

InChI

InChI=1S/C20H16N4O6/c21-18(25)11-3-4-13(16(9-11)24(28)29)10-30-20(27)12-5-6-14-15(8-12)22-17-2-1-7-23(17)19(14)26/h3-6,8-9H,1-2,7,10H2,(H2,21,25)