N-[(E)-[2,3-bis(chloranyl)phenyl]methylideneamino]-6-nitro-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[(E)-[2,3-bis(chloranyl)phenyl]methylideneamino]-6-nitro-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[(E)-(2,3-dichlorophenyl)methyleneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[(E)-(2,3-dichlorophenyl)methylideneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[(E)-(2,3-dichlorophenyl)methylideneamino]-6-nitro-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[(E)-(2,3-dichlorobenzylidene)amino]-4-keto-6-nitro-1H-quinazoline-2-carboxamide Formula: C16H9Cl2N5O4 MolecularWeight: 406.17976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)Cl)C=NNC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)Cl)/C=N/NC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H9Cl2N5O4/c17-11-3-1-2-8(13(11)18)7-19-22-16(25)14-20-12-5-4-9(23(26)27)6-10(12)15(24)21-14/h1-7H,(H,22,25)(H,20,21,24)/b19-7+