methyl 2-[[(E)-1-azido-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]amino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[(E)-1-azido-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[(E)-1-azido-2-cyano-3-methoxy-3-oxo-prop-1-enyl]amino]-3-methyl-pentanoate CAS Name: 2-[[(E)-1-azido-2-cyano-3-methoxy-3-oxoprop-1-enyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-1-azido-2-cyano-3-methoxy-3-oxoprop-1-enyl]amino]-3-methylpentanoate Traditional Name: 2-[[(E)-1-azido-2-cyano-3-keto-3-methoxy-prop-1-enyl]amino]-3-methyl-valeric acid methyl ester Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=C(C#N)C(=O)OC)N=[N+]=[N-]

Isomeric SMILES

CCC(C)C(C(=O)OC)N/C(=C(/C#N)\C(=O)OC)/N=[N+]=[N-]

InChI

InChI=1S/C12H17N5O4/c1-5-7(2)9(12(19)21-4)15-10(16-17-14)8(6-13)11(18)20-3/h7,9,15H,5H2,1-4H3/b10-8+