methyl 3-nitro-4-(prop-1-en-2-ylamino)sulfanyl-benzoate

Systemtic Name: methyl 3-nitro-4-(prop-1-en-2-ylamino)sulfanyl-benzoate Openeye Name: methyl 4-(isopropenylamino)sulfanyl-3-nitro-benzoate CAS Name: 4-[(1-methylethenylamino)thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(prop-1-en-2-ylamino)sulfanylbenzoate Traditional Name: 4-[(isopropenylamino)thio]-3-nitro-benzoic acid methyl ester Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)NSC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=C)NSC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O4S/c1-7(2)12-18-10-5-4-8(11(14)17-3)6-9(10)13(15)16/h4-6,12H,1H2,2-3H3