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

Systemtic Name: (E)-3-[(2,5-dimethylphenyl)amino]-2-nitro-prop-2-enal Openeye Name: (E)-3-(2,5-dimethylanilino)-2-nitro-prop-2-enal CAS Name: (E)-3-(2,5-dimethylanilino)-2-nitro-2-propenal IUPAC Name: (E)-3-(2,5-dimethylanilino)-2-nitroprop-2-enal Traditional Name: (E)-3-(2,5-dimethylanilino)-2-nitro-acrolein Formula: C11H12N2O3 MolecularWeight: 220.22458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3/c1-8-3-4-9(2)11(5-8)12-6-10(7-14)13(15)16/h3-7,12H,1-2H3/b10-6+