2-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid

Systemtic Name: 2-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid Openeye Name: 2-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid CAS Name: 2-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid IUPAC Name: 2-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid Traditional Name: 2-[(1-keto-3-methyl-4H-benzo[f]quinazolin-9-yl)methylamino]benzoic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H17N3O3/c1-12-23-18-9-8-14-7-6-13(10-16(14)19(18)20(25)24-12)11-22-17-5-3-2-4-15(17)21(26)27/h2-10,22H,11H2,1H3,(H,26,27)(H,23,24,25)