ethyl 4-[(5-nitro-2-oxidanyl-phenyl)amino]quinazoline-2-carboxylate

Systemtic Name: ethyl 4-[(5-nitro-2-oxidanyl-phenyl)amino]quinazoline-2-carboxylate Openeye Name: ethyl 4-(2-hydroxy-5-nitro-anilino)quinazoline-2-carboxylate CAS Name: 4-(2-hydroxy-5-nitroanilino)-2-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-hydroxy-5-nitroanilino)quinazoline-2-carboxylate Traditional Name: 4-(2-hydroxy-5-nitro-anilino)quinazoline-2-carboxylic acid ethyl ester Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N4O5/c1-2-26-17(23)16-18-12-6-4-3-5-11(12)15(20-16)19-13-9-10(21(24)25)7-8-14(13)22/h3-9,22H,2H2,1H3,(H,18,19,20)