methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate CAS Name: 3-hydroxy-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]propionic acid methyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C(CO)NC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-21-13(18)11(8-16)14-12(17)6-5-9-3-2-4-10(7-9)15(19)20/h2-7,11,16H,8H2,1H3,(H,14,17)/b6-5+