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methyl (2S)-2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoate

methyl (2S)-2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoate

Systemtic Name:methyl (2S)-2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoate
Openeye Name:methyl (2S)-2-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoate
CAS Name:(2S)-2-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-phenylpropanoic acid methyl ester
IUPAC Name:methyl (2S)-2-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenylpropanoate
Traditional Name:(2S)-2-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propionic acid methyl ester
Formula: C17H16N2O5
MolecularWeight: 328.31934
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-]


Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-]


InChI

InChI=1S/C17H16N2O5/c1-24-17(21)15(9-12-5-3-2-4-6-12)18-11-13-10-14(19(22)23)7-8-16(13)20/h2-8,10-11,15,18H,9H2,1H3/t15-/m0/s1


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