(phenylmethyl) (2S)-2-[[(2E)-2-chloranyl-2-[(4-nitrophenyl)hydrazinylidene]ethanoyl]-prop-2-enyl-amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2E)-2-chloranyl-2-[(4-nitrophenyl)hydrazinylidene]ethanoyl]-prop-2-enyl-amino]propanoate Openeye Name: benzyl (2S)-2-[allyl-[(2E)-2-chloro-2-[(4-nitrophenyl)hydrazono]acetyl]amino]propanoate CAS Name: (2S)-2-[[(2E)-2-chloro-2-[(4-nitrophenyl)hydrazinylidene]-1-oxoethyl]-prop-2-enylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2E)-2-chloro-2-[(4-nitrophenyl)hydrazinylidene]acetyl]-prop-2-enylamino]propanoate Traditional Name: (2S)-2-[allyl-[(2E)-2-chloro-2-[(4-nitrophenyl)hydrazono]acetyl]amino]propionic acid benzyl ester Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N(CC=C)C(=O)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)N(CC=C)C(=O)/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/Cl

InChI

InChI=1S/C21H21ClN4O5/c1-3-13-25(15(2)21(28)31-14-16-7-5-4-6-8-16)20(27)19(22)24-23-17-9-11-18(12-10-17)26(29)30/h3-12,15,23H,1,13-14H2,2H3/b24-19+/t15-/m0/s1