ethyl 3-nitro-5-[2-[(2-nitrophenyl)amino]ethylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[2-[(2-nitrophenyl)amino]ethylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[2-(2-nitroanilino)ethylcarbamoyl]benzoate CAS Name: 3-nitro-5-[[2-(2-nitroanilino)ethylamino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[2-(2-nitroanilino)ethylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[2-(2-nitroanilino)ethylcarbamoyl]benzoic acid ethyl ester Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O7/c1-2-29-18(24)13-9-12(10-14(11-13)21(25)26)17(23)20-8-7-19-15-5-3-4-6-16(15)22(27)28/h3-6,9-11,19H,2,7-8H2,1H3,(H,20,23)