[2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-[3-(ethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O6/c1-2-20-17(24)11-4-3-5-12(8-11)21-16(23)10-28-18(25)14-9-13(22(26)27)6-7-15(14)19/h3-9H,2,10H2,1H3,(H,20,24)(H,21,23)