4-[2-azanyl-4-[(3-nitrophenyl)amino]-1-oxidanyl-butyl]phenol

Systemtic Name: 4-[2-azanyl-4-[(3-nitrophenyl)amino]-1-oxidanyl-butyl]phenol Openeye Name: 4-[2-amino-1-hydroxy-4-(3-nitroanilino)butyl]phenol CAS Name: 4-[2-amino-1-hydroxy-4-(3-nitroanilino)butyl]phenol IUPAC Name: 4-[2-amino-1-hydroxy-4-(3-nitroanilino)butyl]phenol Traditional Name: 4-[2-amino-1-hydroxy-4-(3-nitroanilino)butyl]phenol Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c17-15(16(21)11-4-6-14(20)7-5-11)8-9-18-12-2-1-3-13(10-12)19(22)23/h1-7,10,15-16,18,20-21H,8-9,17H2