2-oxidanylidenepropyl 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate Openeye Name: acetonyl 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(2-chlorobenzyl)amino]-3-nitro-benzoic acid acetonyl ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5/c1-11(21)10-25-17(22)12-6-7-15(16(8-12)20(23)24)19-9-13-4-2-3-5-14(13)18/h2-8,19H,9-10H2,1H3