4-chloranyl-2-nitro-6-[[[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-2-nitro-6-[[[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-2-nitro-6-[[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methylidene]-4-chloro-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@@H]1NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3O3/c19-15-8-14(18(23)17(9-15)22(24)25)10-20-16-6-7-21(12-16)11-13-4-2-1-3-5-13/h1-5,8-10,16,20H,6-7,11-12H2/t16-/m1/s1