[(E)-1-(2,4-dimethylphenyl)ethylideneamino] 3-nitrobenzoate

Systemtic Name: [(E)-1-(2,4-dimethylphenyl)ethylideneamino] 3-nitrobenzoate Openeye Name: [(E)-1-(2,4-dimethylphenyl)ethylideneamino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(E)-1-(2,4-dimethylphenyl)ethylideneamino] ester IUPAC Name: [(E)-1-(2,4-dimethylphenyl)ethylideneamino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(E)-1-(2,4-dimethylphenyl)ethylideneamino] ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=NOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C(=N/OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])/C)C

InChI

InChI=1S/C17H16N2O4/c1-11-7-8-16(12(2)9-11)13(3)18-23-17(20)14-5-4-6-15(10-14)19(21)22/h4-10H,1-3H3/b18-13+