4-methoxy-2-nitro-aniline; 4-methoxy-2-nitro-N-phenyl-aniline

Systemtic Name: 4-methoxy-2-nitro-aniline; 4-methoxy-2-nitro-N-phenyl-aniline Openeye Name: 4-methoxy-2-nitro-aniline; 4-methoxy-2-nitro-N-phenyl-aniline CAS Name: 4-methoxy-2-nitroaniline; 4-methoxy-2-nitro-N-phenylaniline IUPAC Name: 4-methoxy-2-nitroaniline; 4-methoxy-2-nitro-N-phenylaniline Traditional Name: (4-methoxy-2-nitro-phenyl)amine; (4-methoxy-2-nitro-phenyl)-phenyl-amine Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N)[N+](=O)[O-].COC1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N)[N+](=O)[O-].COC1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O3.C7H8N2O3/c1-18-11-7-8-12(13(9-11)15(16)17)14-10-5-3-2-4-6-10;1-12-5-2-3-6(8)7(4-5)9(10)11/h2-9,14H,1H3;2-4H,8H2,1H3