(4-tert-butylphenyl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (4-tert-butylphenyl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (4-tert-butylbenzyl) ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-18(2,3)14-7-4-12(5-8-14)11-24-17(21)13-6-9-15(19)16(10-13)20(22)23/h4-10H,11,19H2,1-3H3