methyl (2S)-2-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propionic acid methyl ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN2O5/c1-25-17(22)14(7-11-5-3-2-4-6-11)19-10-12-8-13(18)9-15(16(12)21)20(23)24/h2-6,8-10,14,19H,7H2,1H3/t14-/m0/s1