N-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-nitro-aniline

Systemtic Name: N-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-nitro-aniline Openeye Name: N-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-nitro-aniline CAS Name: N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-nitroaniline IUPAC Name: N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-nitroaniline Traditional Name: (3-ethoxy-4-methoxy-benzyl)-(3-nitrophenyl)amine Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O4/c1-3-22-16-9-12(7-8-15(16)21-2)11-17-13-5-4-6-14(10-13)18(19)20/h4-10,17H,3,11H2,1-2H3