N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyridine-2,3-diamine

Systemtic Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyridine-2,3-diamine Openeye Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyridine-2,3-diamine CAS Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyridine-2,3-diamine IUPAC Name: 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyridine-2,3-diamine Traditional Name: (3-amino-5-nitro-2-pyridyl)-homoveratryl-amine Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=C(C=C2N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=C(C=C2N)[N+](=O)[O-])OC

InChI

InChI=1S/C15H18N4O4/c1-22-13-4-3-10(7-14(13)23-2)5-6-17-15-12(16)8-11(9-18-15)19(20)21/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,18)