2-acetamido-2-[(3-nitrophenyl)methyl]propanedioate

Systemtic Name: 2-acetamido-2-[(3-nitrophenyl)methyl]propanedioate Openeye Name: 2-acetamido-2-[(3-nitrophenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(3-nitrophenyl)methyl]propanedioate IUPAC Name: 2-acetamido-2-[(3-nitrophenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(3-nitrobenzyl)malonate Formula: C12H10N2O7-2 MolecularWeight: 294.217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O7/c1-7(15)13-12(10(16)17,11(18)19)6-8-3-2-4-9(5-8)14(20)21/h2-5H,6H2,1H3,(H,13,15)(H,16,17)(H,18,19)/p-2