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methyl 3-nitro-4-(propan-2-ylideneamino)sulfanyl-benzoate

methyl 3-nitro-4-(propan-2-ylideneamino)sulfanyl-benzoate

Systemtic Name:methyl 3-nitro-4-(propan-2-ylideneamino)sulfanyl-benzoate
Openeye Name:methyl 4-(isopropylideneamino)sulfanyl-3-nitro-benzoate
CAS Name:3-nitro-4-[(propan-2-ylideneamino)thio]benzoic acid methyl ester
IUPAC Name:methyl 3-nitro-4-(propan-2-ylideneamino)sulfanylbenzoate
Traditional Name:4-[(isopropylideneamino)thio]-3-nitro-benzoic acid methyl ester
Formula: C11H12N2O4S
MolecularWeight: 268.28898
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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