[3-nitro-4-(1-oxidanylbutan-2-ylamino)phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-(1-oxidanylbutan-2-ylamino)phenyl]-phenyl-methanone Openeye Name: [4-[1-(hydroxymethyl)propylamino]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-(1-hydroxybutan-2-ylamino)-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-(1-hydroxybutan-2-ylamino)-3-nitrophenyl]-phenylmethanone Traditional Name: [4-(1-methylolpropylamino)-3-nitro-phenyl]-phenyl-methanone Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CO)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

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