1-[3-nitro-4-[[4-(2-oxidanylpropyl)phenyl]amino]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[[4-(2-oxidanylpropyl)phenyl]amino]phenyl]ethanone Openeye Name: 1-[4-[4-(2-hydroxypropyl)anilino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(2-hydroxypropyl)anilino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(2-hydroxypropyl)anilino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(2-hydroxypropyl)anilino]-3-nitro-phenyl]ethanone Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])O

Isomeric SMILES

CC(CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N2O4/c1-11(20)9-13-3-6-15(7-4-13)18-16-8-5-14(12(2)21)10-17(16)19(22)23/h3-8,10-11,18,20H,9H2,1-2H3