[[5-[(3,4-dichlorophenyl)amino]-2,3-dihydro-1H-inden-2-yl]amino] 3-nitrobenzoate

Systemtic Name: [[5-[(3,4-dichlorophenyl)amino]-2,3-dihydro-1H-inden-2-yl]amino] 3-nitrobenzoate Openeye Name: [[5-(3,4-dichloroanilino)indan-2-yl]amino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [[5-(3,4-dichloroanilino)-2,3-dihydro-1H-inden-2-yl]amino] ester IUPAC Name: [[5-(3,4-dichloroanilino)-2,3-dihydro-1H-inden-2-yl]amino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [[5-(3,4-dichloroanilino)indan-2-yl]amino] ester Formula: C22H17Cl2N3O4 MolecularWeight: 458.29408

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=C1C=CC(=C2)NC3=CC(=C(C=C3)Cl)Cl)NOC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(CC2=C1C=CC(=C2)NC3=CC(=C(C=C3)Cl)Cl)NOC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17Cl2N3O4/c23-20-7-6-17(12-21(20)24)25-16-5-4-13-8-18(10-15(13)9-16)26-31-22(28)14-2-1-3-19(11-14)27(29)30/h1-7,9,11-12,18,25-26H,8,10H2