propan-2-yl 3-[[6-(1,3-dithiol-2-ylidene)-5-nitro-cyclohexa-1,3-dien-1-yl]amino]-3-oxidanylidene-propanoate

Systemtic Name: propan-2-yl 3-[[6-(1,3-dithiol-2-ylidene)-5-nitro-cyclohexa-1,3-dien-1-yl]amino]-3-oxidanylidene-propanoate Openeye Name: isopropyl 3-[[6-(1,3-dithiol-2-ylidene)-5-nitro-cyclohexa-1,3-dien-1-yl]amino]-3-oxo-propanoate CAS Name: 3-[[6-(1,3-dithiol-2-ylidene)-5-nitro-1-cyclohexa-1,3-dienyl]amino]-3-oxopropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[6-(1,3-dithiol-2-ylidene)-5-nitrocyclohexa-1,3-dien-1-yl]amino]-3-oxopropanoate Traditional Name: 3-[[6-(1,3-dithiol-2-ylidene)-5-nitro-cyclohexa-1,3-dien-1-yl]amino]-3-keto-propionic acid isopropyl ester Formula: C15H16N2O5S2 MolecularWeight: 368.42794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)NC1=CC=CC(C1=C2SC=CS2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CC(=O)NC1=CC=CC(C1=C2SC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O5S2/c1-9(2)22-13(19)8-12(18)16-10-4-3-5-11(17(20)21)14(10)15-23-6-7-24-15/h3-7,9,11H,8H2,1-2H3,(H,16,18)