methyl 4-[(6-nitroquinazolin-4-yl)amino]benzoate

Systemtic Name: methyl 4-[(6-nitroquinazolin-4-yl)amino]benzoate Openeye Name: methyl 4-[(6-nitroquinazolin-4-yl)amino]benzoate CAS Name: 4-[(6-nitro-4-quinazolinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-nitroquinazolin-4-yl)amino]benzoate Traditional Name: 4-[(6-nitroquinazolin-4-yl)amino]benzoic acid methyl ester Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4/c1-24-16(21)10-2-4-11(5-3-10)19-15-13-8-12(20(22)23)6-7-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)