4-azanylbenzaldehyde; 1-(2-propoxyethoxy)ethyl 4-nitrobenzoate

Systemtic Name: 4-azanylbenzaldehyde; 1-(2-propoxyethoxy)ethyl 4-nitrobenzoate Openeye Name: 4-aminobenzaldehyde; 1-(2-propoxyethoxy)ethyl 4-nitrobenzoate CAS Name: 4-aminobenzaldehyde; 4-nitrobenzoic acid 1-(2-propoxyethoxy)ethyl ester IUPAC Name: 4-aminobenzaldehyde; 1-(2-propoxyethoxy)ethyl 4-nitrobenzoate Traditional Name: 4-aminobenzaldehyde; 4-nitrobenzoic acid 1-(2-propoxyethoxy)ethyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C=O)N

Isomeric SMILES

CCCOCCOC(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C=O)N

InChI

InChI=1S/C14H19NO6.C7H7NO/c1-3-8-19-9-10-20-11(2)21-14(16)12-4-6-13(7-5-12)15(17)18;8-7-3-1-6(5-9)2-4-7/h4-7,11H,3,8-10H2,1-2H3;1-5H,8H2