4-methoxy-2-nitro-N-phenyl-aniline; 3-[(4-methoxy-2-nitro-phenyl)-phenyl-amino]propanenitrile

Systemtic Name: 4-methoxy-2-nitro-N-phenyl-aniline; 3-[(4-methoxy-2-nitro-phenyl)-phenyl-amino]propanenitrile Openeye Name: 4-methoxy-2-nitro-N-phenyl-aniline; 3-(N-(4-methoxy-2-nitro-phenyl)anilino)propanenitrile CAS Name: 4-methoxy-2-nitro-N-phenylaniline; 3-(N-(4-methoxy-2-nitrophenyl)anilino)propanenitrile IUPAC Name: 4-methoxy-2-nitro-N-phenylaniline; 3-(N-(4-methoxy-2-nitrophenyl)anilino)propanenitrile Traditional Name: 3-(N-(4-methoxy-2-nitro-phenyl)anilino)propionitrile; (4-methoxy-2-nitro-phenyl)-phenyl-amine Formula: C29H27N5O6 MolecularWeight: 541.55458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3.C13H12N2O3/c1-22-14-8-9-15(16(12-14)19(20)21)18(11-5-10-17)13-6-3-2-4-7-13;1-18-11-7-8-12(13(9-11)15(16)17)14-10-5-3-2-4-6-10/h2-4,6-9,12H,5,11H2,1H3;2-9,14H,1H3