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

Systemtic Name: 3-[2-azanyl-4-[(3-nitrophenyl)amino]-1-oxidanyl-butyl]phenol Openeye Name: 3-[2-amino-1-hydroxy-4-(3-nitroanilino)butyl]phenol CAS Name: 3-[2-amino-1-hydroxy-4-(3-nitroanilino)butyl]phenol IUPAC Name: 3-[2-amino-1-hydroxy-4-(3-nitroanilino)butyl]phenol Traditional Name: 3-[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)O)C(C(CCNC2=CC(=CC=C2)[N+](=O)[O-])N)O

Isomeric SMILES

C1=CC(=CC(=C1)O)C(C(CCNC2=CC(=CC=C2)[N+](=O)[O-])N)O

InChI

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