methyl 3-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H16N2O7 MolecularWeight: 336.29674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H16N2O7/c1-4-24-13(18)5-9(2)16-14(19)10-6-11(15(20)23-3)8-12(7-10)17(21)22/h5-8H,4H2,1-3H3,(H,16,19)/b9-5+