methyl 3-[bis(cyanomethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[bis(cyanomethyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[bis(cyanomethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[bis(cyanomethyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[bis(cyanomethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[bis(cyanomethyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C13H10N4O5 MolecularWeight: 302.2423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O5/c1-22-13(19)10-6-9(7-11(8-10)17(20)21)12(18)16(4-2-14)5-3-15/h6-8H,4-5H2,1H3