5-chloranyl-1-[7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-1-[7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]indole-2-carboxylic acid Openeye Name: 5-chloro-1-(7-nitro-2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid CAS Name: 5-chloro-1-(7-nitro-2,4-dioxo-1H-quinazolin-3-yl)-2-indolecarboxylic acid IUPAC Name: 5-chloro-1-(7-nitro-2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxylic acid Traditional Name: 5-chloro-1-(2,4-diketo-7-nitro-1H-quinazolin-3-yl)indole-2-carboxylic acid Formula: C17H9ClN4O6 MolecularWeight: 400.72956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)N(C2=O)N3C4=C(C=C(C=C4)Cl)C=C3C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)N(C2=O)N3C4=C(C=C(C=C4)Cl)C=C3C(=O)O

InChI

InChI=1S/C17H9ClN4O6/c18-9-1-4-13-8(5-9)6-14(16(24)25)20(13)21-15(23)11-3-2-10(22(27)28)7-12(11)19-17(21)26/h1-7H,(H,19,26)(H,24,25)