methyl 4-[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(4-ethoxy-2-nitroanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-ethoxy-2-nitroanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(4-ethoxy-2-nitro-anilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H17N3O9 MolecularWeight: 419.34228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O9/c1-3-29-12-5-6-13(14(9-12)20(24)25)19-17(22)10-30-16-7-4-11(18(23)28-2)8-15(16)21(26)27/h4-9H,3,10H2,1-2H3,(H,19,22)