2-azanyl-4-nitro-phenol; 3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: 2-azanyl-4-nitro-phenol; 3-oxidanylidene-N-phenyl-butanamide Openeye Name: 2-amino-4-nitro-phenol; 3-oxo-N-phenyl-butanamide CAS Name: 2-amino-4-nitrophenol; 3-oxo-N-phenylbutanamide IUPAC Name: 2-amino-4-nitrophenol; 3-oxo-N-phenylbutanamide Traditional Name: 2-amino-4-nitro-phenol; 3-keto-N-phenyl-butyramide Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=CC=C1.C1=CC(=C(C=C1[N+](=O)[O-])N)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=CC=C1.C1=CC(=C(C=C1[N+](=O)[O-])N)O

InChI

InChI=1S/C10H11NO2.C6H6N2O3/c1-8(12)7-10(13)11-9-5-3-2-4-6-9;7-5-3-4(8(10)11)1-2-6(5)9/h2-6H,7H2,1H3,(H,11,13);1-3,9H,7H2