N-[(E)-(4-nitrophenyl)methylideneamino]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[(E)-(4-nitrophenyl)methylideneamino]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[(E)-(4-nitrophenyl)methyleneamino]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[(E)-(4-nitrophenyl)methylideneamino]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[(E)-(4-nitrophenyl)methylideneamino]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[(E)-(4-nitrobenzylidene)amino]-1H-quinazoline-2-carboxamide Formula: C16H11N5O4 MolecularWeight: 337.28964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O4/c22-15-12-3-1-2-4-13(12)18-14(19-15)16(23)20-17-9-10-5-7-11(8-6-10)21(24)25/h1-9H,(H,20,23)(H,18,19,22)/b17-9+