(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 4-chloranyl-2-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 4-chloranyl-2-nitro-benzoate Openeye Name: 1-(phenylcarbamoyl)propyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid 1-(phenylcarbamoyl)propyl ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5/c1-2-15(16(21)19-12-6-4-3-5-7-12)25-17(22)13-9-8-11(18)10-14(13)20(23)24/h3-10,15H,2H2,1H3,(H,19,21)