2-[[4-(4-nitrophenoxy)carbonyloxyphenyl]methylcarbamoyl-prop-2-enyl-amino]-2-prop-2-enyl-pentanedioic acid

Systemtic Name: 2-[[4-(4-nitrophenoxy)carbonyloxyphenyl]methylcarbamoyl-prop-2-enyl-amino]-2-prop-2-enyl-pentanedioic acid Openeye Name: 2-allyl-2-[allyl-[[4-(4-nitrophenoxy)carbonyloxyphenyl]methylcarbamoyl]amino]pentanedioic acid CAS Name: 2-[[[[4-[(4-nitrophenoxy)-oxomethoxy]phenyl]methylamino]-oxomethyl]-prop-2-enylamino]-2-prop-2-enylpentanedioic acid IUPAC Name: 2-[[4-(4-nitrophenoxy)carbonyloxyphenyl]methylcarbamoyl-prop-2-enylamino]-2-prop-2-enylpentanedioic acid Traditional Name: 2-allyl-2-[allyl-[[4-(4-nitrophenoxy)carbonyloxybenzyl]carbamoyl]amino]glutaric acid Formula: C26H27N3O10 MolecularWeight: 541.50668

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CCC(=O)O)(C(=O)O)N(CC=C)C(=O)NCC1=CC=C(C=C1)OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCC(CCC(=O)O)(C(=O)O)N(CC=C)C(=O)NCC1=CC=C(C=C1)OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O10/c1-3-14-26(23(32)33,15-13-22(30)31)28(16-4-2)24(34)27-17-18-5-9-20(10-6-18)38-25(35)39-21-11-7-19(8-12-21)29(36)37/h3-12H,1-2,13-17H2,(H,27,34)(H,30,31)(H,32,33)