methyl 2-[2-ethoxyethanoyl(prop-2-enyl)amino]-4-nitro-benzoate

Systemtic Name: methyl 2-[2-ethoxyethanoyl(prop-2-enyl)amino]-4-nitro-benzoate Openeye Name: methyl 2-[allyl-(2-ethoxyacetyl)amino]-4-nitro-benzoate CAS Name: 2-[(2-ethoxy-1-oxoethyl)-prop-2-enylamino]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(2-ethoxyacetyl)-prop-2-enylamino]-4-nitrobenzoate Traditional Name: 2-[allyl-(2-ethoxyacetyl)amino]-4-nitro-benzoic acid methyl ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O6/c1-4-8-16(14(18)10-23-5-2)13-9-11(17(20)21)6-7-12(13)15(19)22-3/h4,6-7,9H,1,5,8,10H2,2-3H3