2-[5-(2-butyl-5,6-dimethyl-4-oxidanylidene-quinazolin-3-yl)indol-1-yl]carbonyl-6-nitro-benzoic acid

Systemtic Name: 2-[5-(2-butyl-5,6-dimethyl-4-oxidanylidene-quinazolin-3-yl)indol-1-yl]carbonyl-6-nitro-benzoic acid Openeye Name: 2-[5-(2-butyl-5,6-dimethyl-4-oxo-quinazolin-3-yl)indole-1-carbonyl]-6-nitro-benzoic acid CAS Name: 2-[[5-(2-butyl-5,6-dimethyl-4-oxo-3-quinazolinyl)-1-indolyl]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[5-(2-butyl-5,6-dimethyl-4-oxoquinazolin-3-yl)indole-1-carbonyl]-6-nitrobenzoic acid Traditional Name: 2-[5-(2-butyl-4-keto-5,6-dimethyl-quinazolin-3-yl)indole-1-carbonyl]-6-nitro-benzoic acid Formula: C30H26N4O6 MolecularWeight: 538.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=C(C=C2)C)C)C(=O)N1C3=CC4=C(C=C3)N(C=C4)C(=O)C5=C(C(=CC=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C(=C(C=C2)C)C)C(=O)N1C3=CC4=C(C=C3)N(C=C4)C(=O)C5=C(C(=CC=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C30H26N4O6/c1-4-5-9-25-31-22-12-10-17(2)18(3)26(22)29(36)33(25)20-11-13-23-19(16-20)14-15-32(23)28(35)21-7-6-8-24(34(39)40)27(21)30(37)38/h6-8,10-16H,4-5,9H2,1-3H3,(H,37,38)