(4-aminocarbonyl-2-nitro-phenyl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7/c1-2-3-10-30-17-8-6-14(7-9-17)21(27)23-12-19(25)31-13-16-5-4-15(20(22)26)11-18(16)24(28)29/h4-9,11H,2-3,10,12-13H2,1H3,(H2,22,26)(H,23,27)