2-[(Z)-1-chloranyl-2-(4-nitrophenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(Z)-1-chloranyl-2-(4-nitrophenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-1-chloro-2-(4-nitrophenyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-1-chloro-2-(4-nitrophenyl)vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C17H10ClN3O5 MolecularWeight: 371.7314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClN3O5/c18-13(7-9-1-4-11(5-2-9)21(25)26)15-19-14-8-10(17(23)24)3-6-12(14)16(22)20-15/h1-8H,(H,23,24)(H,19,20,22)/b13-7-