4-[ethyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]-2-nitro-benzoic acid

Systemtic Name: 4-[ethyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]-2-nitro-benzoic acid Openeye Name: 4-[ethyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]-2-nitro-benzoic acid CAS Name: 4-[ethyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]-2-nitrobenzoic acid IUPAC Name: 4-[ethyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]-2-nitrobenzoic acid Traditional Name: 4-[ethyl-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl]amino]-2-nitro-benzoic acid Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)NC(=NC2=O)C)C3=CC(=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)NC(=NC2=O)C)C3=CC(=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5/c1-3-22(13-5-6-14(19(25)26)17(9-13)23(27)28)10-12-4-7-16-15(8-12)18(24)21-11(2)20-16/h4-9H,3,10H2,1-2H3,(H,25,26)(H,20,21,24)