N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-quinazolin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-quinazolin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-quinazolin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-4-quinazolinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitroquinazolin-4-amine Traditional Name: homoveratryl-(6-nitroquinazolin-4-yl)amine Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N4O4/c1-25-16-6-3-12(9-17(16)26-2)7-8-19-18-14-10-13(22(23)24)4-5-15(14)20-11-21-18/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,21)