[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(2-furylmethylamino)-4-oxo-butanoate CAS Name: 4-(2-furanylmethylamino)-4-oxobutanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate Traditional Name: 4-(2-furfurylamino)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7/c1-12-4-5-13(9-15(12)21(25)26)20-17(23)11-28-18(24)7-6-16(22)19-10-14-3-2-8-27-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,19,22)(H,20,23)