4-nitroaniline; nitrobenzene; 4-nitrosoaniline

Systemtic Name: 4-nitroaniline; nitrobenzene; 4-nitrosoaniline Openeye Name: 4-nitroaniline; nitrobenzene; 4-nitrosoaniline CAS Name: 4-nitroaniline; nitrobenzene; 4-nitrosoaniline IUPAC Name: 4-nitroaniline; nitrobenzene; 4-nitrosoaniline Traditional Name: nitrobenzene; (4-nitrophenyl)amine; (4-nitrosophenyl)amine Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1N)N=O.C1=CC(=CC=C1N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1N)N=O.C1=CC(=CC=C1N)[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O2.C6H6N2O.C6H5NO2/c7-5-1-3-6(4-2-5)8(9)10;7-5-1-3-6(8-9)4-2-5;8-7(9)6-4-2-1-3-5-6/h1-4H,7H2;1-4H,7H2;1-5H