(phenylmethyl) 5-[2-azanyl-3-[[2-(4-nitrophenoxy)-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]imidazole-1-carboxylate

Systemtic Name: (phenylmethyl) 5-[2-azanyl-3-[[2-(4-nitrophenoxy)-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]imidazole-1-carboxylate Openeye Name: benzyl 5-[2-amino-3-[[2-(4-nitrophenoxy)-2-oxo-ethyl]amino]-3-oxo-propyl]imidazole-1-carboxylate CAS Name: 5-[2-amino-3-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-3-oxopropyl]-1-imidazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[2-amino-3-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-3-oxopropyl]imidazole-1-carboxylate Traditional Name: 5-[2-amino-3-keto-3-[[2-keto-2-(4-nitrophenoxy)ethyl]amino]propyl]imidazole-1-carboxylic acid benzyl ester Formula: C22H21N5O7 MolecularWeight: 467.43144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=NC=C2CC(C(=O)NCC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=NC=C2CC(C(=O)NCC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C22H21N5O7/c23-19(21(29)25-12-20(28)34-18-8-6-16(7-9-18)27(31)32)10-17-11-24-14-26(17)22(30)33-13-15-4-2-1-3-5-15/h1-9,11,14,19H,10,12-13,23H2,(H,25,29)