azanyl 4-[3-chloranyl-4-(2-cyanopyrrol-1-yl)phenyl]-2-(2-methylpentanoyl)-3-nitro-benzoate

Systemtic Name: azanyl 4-[3-chloranyl-4-(2-cyanopyrrol-1-yl)phenyl]-2-(2-methylpentanoyl)-3-nitro-benzoate Openeye Name: amino 4-[3-chloro-4-(2-cyanopyrrol-1-yl)phenyl]-2-(2-methylpentanoyl)-3-nitro-benzoate CAS Name: 4-[3-chloro-4-(2-cyano-1-pyrrolyl)phenyl]-2-(2-methyl-1-oxopentyl)-3-nitrobenzoic acid amino ester IUPAC Name: amino 4-[3-chloro-4-(2-cyanopyrrol-1-yl)phenyl]-2-(2-methylpentanoyl)-3-nitrobenzoate Traditional Name: 4-[3-chloro-4-(2-cyanopyrrol-1-yl)phenyl]-2-(2-methylpentanoyl)-3-nitro-benzoic acid amino ester Formula: C24H21ClN4O5 MolecularWeight: 480.90034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)C1=C(C=CC(=C1[N+](=O)[O-])C2=CC(=C(C=C2)N3C=CC=C3C#N)Cl)C(=O)ON

Isomeric SMILES

CCCC(C)C(=O)C1=C(C=CC(=C1[N+](=O)[O-])C2=CC(=C(C=C2)N3C=CC=C3C#N)Cl)C(=O)ON

InChI

InChI=1S/C24H21ClN4O5/c1-3-5-14(2)23(30)21-18(24(31)34-27)9-8-17(22(21)29(32)33)15-7-10-20(19(25)12-15)28-11-4-6-16(28)13-26/h4,6-12,14H,3,5,27H2,1-2H3