[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H13Cl2N3O5 MolecularWeight: 398.19752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C16H13Cl2N3O5/c17-11-3-1-10(12(18)6-11)7-20-15(22)8-26-16(23)9-2-4-13(19)14(5-9)21(24)25/h1-6H,7-8,19H2,(H,20,22)