[2-methoxy-5-(nitromethyl)phenyl] 2,4-bis(azanyl)quinazoline-6-carboxylate

Systemtic Name: [2-methoxy-5-(nitromethyl)phenyl] 2,4-bis(azanyl)quinazoline-6-carboxylate Openeye Name: [2-methoxy-5-(nitromethyl)phenyl] 2,4-diaminoquinazoline-6-carboxylate CAS Name: 2,4-diamino-6-quinazolinecarboxylic acid [2-methoxy-5-(nitromethyl)phenyl] ester IUPAC Name: [2-methoxy-5-(nitromethyl)phenyl] 2,4-diaminoquinazoline-6-carboxylate Traditional Name: 2,4-diaminoquinazoline-6-carboxylic acid [2-methoxy-5-(nitromethyl)phenyl] ester Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C17H15N5O5/c1-26-13-5-2-9(8-22(24)25)6-14(13)27-16(23)10-3-4-12-11(7-10)15(18)21-17(19)20-12/h2-7H,8H2,1H3,(H4,18,19,20,21)