ethyl 3-[(6-nitroquinazolin-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(6-nitroquinazolin-4-yl)amino]benzoate Openeye Name: ethyl 3-[(6-nitroquinazolin-4-yl)amino]benzoate CAS Name: 3-[(6-nitro-4-quinazolinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-nitroquinazolin-4-yl)amino]benzoate Traditional Name: 3-[(6-nitroquinazolin-4-yl)amino]benzoic acid ethyl ester Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O4/c1-2-25-17(22)11-4-3-5-12(8-11)20-16-14-9-13(21(23)24)6-7-15(14)18-10-19-16/h3-10H,2H2,1H3,(H,18,19,20)