(E)-3-[(3,5-dimethoxyphenyl)amino]-2-nitro-prop-2-enal

Systemtic Name: (E)-3-[(3,5-dimethoxyphenyl)amino]-2-nitro-prop-2-enal Openeye Name: (E)-3-(3,5-dimethoxyanilino)-2-nitro-prop-2-enal CAS Name: (E)-3-(3,5-dimethoxyanilino)-2-nitro-2-propenal IUPAC Name: (E)-3-(3,5-dimethoxyanilino)-2-nitroprop-2-enal Traditional Name: (E)-3-(3,5-dimethoxyanilino)-2-nitro-acrolein Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC=C(C=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)N/C=C(\C=O)/[N+](=O)[O-])OC

InChI

InChI=1S/C11H12N2O5/c1-17-10-3-8(4-11(5-10)18-2)12-6-9(7-14)13(15)16/h3-7,12H,1-2H3/b9-6+