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

Systemtic Name: propyl 3-[(6-nitroquinazolin-4-yl)amino]benzoate Openeye Name: propyl 3-[(6-nitroquinazolin-4-yl)amino]benzoate CAS Name: 3-[(6-nitro-4-quinazolinyl)amino]benzoic acid propyl ester IUPAC Name: propyl 3-[(6-nitroquinazolin-4-yl)amino]benzoate Traditional Name: 3-[(6-nitroquinazolin-4-yl)amino]benzoic acid propyl ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4/c1-2-8-26-18(23)12-4-3-5-13(9-12)21-17-15-10-14(22(24)25)6-7-16(15)19-11-20-17/h3-7,9-11H,2,8H2,1H3,(H,19,20,21)