disodium (Z)-2-[(4-aminocarbonylphenyl)methyl]-3-propan-2-yl-but-2-enedioate

Systemtic Name: disodium (Z)-2-[(4-aminocarbonylphenyl)methyl]-3-propan-2-yl-but-2-enedioate Openeye Name: disodium (Z)-2-[(4-carbamoylphenyl)methyl]-3-isopropyl-but-2-enedioate CAS Name: disodium (Z)-2-[(4-carbamoylphenyl)methyl]-3-propan-2-yl-2-butenedioate IUPAC Name: disodium (Z)-2-[(4-carbamoylphenyl)methyl]-3-propan-2-ylbut-2-enedioate Traditional Name: disodium (Z)-2-(4-carbamoylbenzyl)-3-isopropyl-but-2-enedioate Formula: C15H15NNa2O5 MolecularWeight: 335.26284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(CC1=CC=C(C=C1)C(=O)N)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)/C(=C(\CC1=CC=C(C=C1)C(=O)N)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H17NO5.2Na/c1-8(2)12(15(20)21)11(14(18)19)7-9-3-5-10(6-4-9)13(16)17;;/h3-6,8H,7H2,1-2H3,(H2,16,17)(H,18,19)(H,20,21);;/q;2*+1/p-2/b12-11-;;